3-(4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Chemical Structure Depiction of
3-(4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
3-(4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione
Compound characteristics
| Compound ID: | C172-0079 |
| Compound Name: | 3-(4-{2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl}phenyl)thieno[3,2-d]pyrimidine-2,4(1H,3H)-dione |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C26 H26 N4 O3 S |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)C(Cc1ccc(cc1)N1C(c2c(ccs2)NC1=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0913 |
| logD: | 4.0888 |
| logSw: | -4.1008 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.967 |
| InChI Key: | KRWQJMMBIGUXKE-UHFFFAOYSA-N |